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35 Open 162 Closed
35 Open 162 Closed
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Issues list

docs: new gromacs version requirements (for slow growth) of >= 2023 bug Something isn't working documentation Improvements or additions to documentation
#466 opened Aug 14, 2024 by jmbuhr
truncate_sim_files not robust
#464 opened Jul 24, 2024 by ehhartmann
1
colbuilder tutorial documentation Improvements or additions to documentation
#463 opened Jul 23, 2024 by ehhartmann
pairs not updated during bond rupture of CG polymer bug Something isn't working Priority
#462 opened Jul 22, 2024 by caapontes
topology keys datatype enhancement New feature or request
#455 opened Jul 3, 2024 by jmbuhr
9
Rates unit
#450 opened Jun 25, 2024 by ehhartmann
1
small improvements
#447 opened Jun 25, 2024 by jmbuhr
1 of 7 tasks
Feedback on the tutorial documentation Improvements or additions to documentation
#443 opened Jun 17, 2024 by caapontes
Plumed file changes shouldnt be hardcoded
#442 opened Jun 17, 2024 by ehhartmann
2
can't parse newer charmm ff topologies
#434 opened Jun 7, 2024 by ehhartmann
add hydrolysis as example reaction plugin Priority
#426 opened Apr 17, 2024 by jmbuhr
@jmbuhr
radical_population analysis zero div error bug Something isn't working
#412 opened Mar 18, 2024 by KRiedmiller
CG test system not running Priority
#407 opened Mar 5, 2024 by ehhartmann
2 tasks
Collagen fibril test system not running Priority
#405 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
Ethyl test system not running Priority
#404 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
1
kimmdy logfile linking hardcoded
#400 opened Mar 1, 2024 by ehhartmann
undefined module in tutorial
#398 opened Mar 1, 2024 by jmbuhr
1
Parse aminoacids.rtp bondedtypes information
#386 opened Feb 26, 2024 by ehhartmann
hat_reaction changing kmc type not intuitive
#385 opened Feb 23, 2024 by emerbitz
4
Amino acid histidine not correctly handled by KIMMDY
#384 opened Feb 23, 2024 by emerbitz
4
topology removes ifdef posres
#381 opened Feb 23, 2024 by KRiedmiller
topology.find_radical() naming is misguiding papercut Bug without major malfunctions
#374 opened Feb 20, 2024 by ehhartmann
Apply_recipe task info should write whether the printed numbers are ix or id
#372 opened Feb 19, 2024 by ehhartmann
Pass bond parameters from topology to homolysis plugin
#368 opened Feb 15, 2024 by ehhartmann
check defaults for analysis tools from python and command line papercut Bug without major malfunctions
#363 opened Feb 9, 2024 by jmbuhr
@jmbuhr
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